dft optimize failed 0 ------------------------------------------------------------------------ ------------------------------------------------------------------------
current input line :
37: task dft optimize
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This type of error is most commonly associatated with calculations not reaching convergence criteria
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For more information see the NWChem manual at http://www.emsl.pnl.gov/docs/nwchem/nwchem.html
For further details see manual section: [google][yahoo]google[/yahoo][/google]
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